2-fluoro-6-(4-methylcyclohexyl)oxybenzenecarboximidamide

C14H19FN2O — CID 64748711

IUPAC2-fluoro-6-(4-methylcyclohexyl)oxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1OC1CCC(C)CC1
InChIInChI=1S/C14H19FN2O/c1-9-5-7-10(8-6-9)18-12-4-2-3-11(15)13(12)14(16)17/h2-4,9-10H,5-8H2,1H3,(H3,16,17)
InChIKeyMCPOZANFADTNDU-UHFFFAOYSA-N
MW250.32 g/mol
LogP3.07
Rot. Bonds3

About 2-fluoro-6-(4-methylcyclohexyl)oxybenzenecarboximidamide

2-fluoro-6-(4-methylcyclohexyl)oxybenzenecarboximidamide (PubChem CID 64748711) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-fluoro-6-(4-methylcyclohexyl)oxybenzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-6-(4-methylcyclohexyl)oxybenzenecarboximidamide
PubChem CID64748711
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name2-fluoro-6-(4-methylcyclohexyl)oxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1OC1CCC(C)CC1
InChIInChI=1S/C14H19FN2O/c1-9-5-7-10(8-6-9)18-12-4-2-3-11(15)13(12)14(16)17/h2-4,9-10H,5-8H2,1H3,(H3,16,17)
InChIKeyMCPOZANFADTNDU-UHFFFAOYSA-N
XLogP3.07
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 62494922
2-cycloheptyloxy-6-fluorobenzenecarbothioamide
CID 79519678
5-methyl-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 114017325
2-chloro-6-(3,4-dimethylcyclohexyl)oxybenzenecarboximidamide
CID 64744981
2-fluoro-6-(2-methylphenoxy)benzenecarboximidamide
CID 79520393
2-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)benzenecarboximidamide
CID 43153728
2-butan-2-yloxy-6-fluorobenzenecarboximidamide
CID 43609351
2-(2-carbamimidoyl-3-fluorophenoxy)-N,N-dimethylacetamide
CID 82240685
2-fluoro-6-(oxolan-3-ylmethoxy)benzenecarboximidamide
CID 54977390
2-(2-chlorophenoxy)-6-fluorobenzenecarboximidamide;hydrochloride
CID 82240764
2-(4-ethylphenoxy)-6-fluorobenzenecarboximidamide
CID 79520315
2-fluoro-6-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide
CID 114678798

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(4-methylcyclohexyl)oxybenzenecarboximidamide?
The IUPAC name of 2-fluoro-6-(4-methylcyclohexyl)oxybenzenecarboximidamide (CID 64748711) is 2-fluoro-6-(4-methylcyclohexyl)oxybenzenecarboximidamide.
What is the SMILES notation for 2-fluoro-6-(4-methylcyclohexyl)oxybenzenecarboximidamide?
The canonical SMILES for 2-fluoro-6-(4-methylcyclohexyl)oxybenzenecarboximidamide is [H]/N=C(\N)c1c(F)cccc1OC1CCC(C)CC1.
What is the InChIKey of 2-fluoro-6-(4-methylcyclohexyl)oxybenzenecarboximidamide?
The InChIKey is MCPOZANFADTNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-9-5-7-10(8-6-9)18-12-4-2-3-11(15)13(12)14(16)17/h2-4,9-10H,5-8H2,1H3,(H3,16,17).
What are the key properties of 2-fluoro-6-(4-methylcyclohexyl)oxybenzenecarboximidamide?
2-fluoro-6-(4-methylcyclohexyl)oxybenzenecarboximidamide has a molecular weight of 250.32 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(4-methylcyclohexyl)oxybenzenecarboximidamide is sourced from PubChem (CID 64748711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).